Influence of Si Atoms Insertion on the Formation of the Ti-Si-N Composite by DFT Simulation

Influence of Si Atoms Insertion on the Formation of the Ti-Si-N Composite by DFT Simulation

Using Density Functional Theory (DFT) SiN and TiN structures were simulated, in order to study the influence of the silicon atoms insertion in the TiN lattice placed on interstitial and substitutional positions in a face centered cubic (FCC) crystalline lattice. Results showed that the SiN - FCC st...

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Bibliographic Details
Main Authors: Juan Manuel Gonzalez, Juan Manuel González, Johans Steeven Restrepo, Carolina Ortega Portilla, Alexander Ruden Muñoz, Federico Sequeda Osorio
Format: Article
Language:English
Published: Universidad EAFIT 2016-02-01
Series:Ingeniería y Ciencia
Subjects:
density functional theory
crystalline structure
nano-composite
silicon
thin films
coatings
Online Access:http://publicaciones.eafit.edu.co/index.php/ingciencia/article/view/3211

Internet

http://publicaciones.eafit.edu.co/index.php/ingciencia/article/view/3211

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